General Information of the Compound
| Compound ID |
CP0506299
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| Compound Name |
(4R,8S,11S)-11-amino-N-benzyl-8-(4-hydroxybenzyl)-6,10-dioxo-1,2-dithia-5,9-diazacyclotridecane-4-carboxamide
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| Structure |
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| Formula |
C24H30N4O4S2
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| Molecular Weight |
502.662
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| Canonical SMILES |
N[C@H]1CCSSC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1
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| InChI |
InChI=1S/C24H30N4O4S2/c25-20-10-11-33-34-15-21(24(32)26-14-17-4-2-1-3-5-17)28-22(30)13-18(27-23(20)31)12-16-6-8-19(29)9-7-16/h1-9,18,20-21,29H,10-15,25H2,(H,26,32)(H,27,31)(H,28,30)/t18-,20-,21-/m0/s1
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| InChIKey |
HDKPJLJQBLITCN-JBACZVJFSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01820, Aminopeptidase N
Protein ID: PT05116, Leucyl-cystinyl aminopeptidase